(phenylmethyl) 2-(7-azanyl-1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(7-azanyl-1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: benzyl 2-(7-amino-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(7-amino-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(7-amino-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(7-amino-3-keto-1-methyl-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid benzyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(CC2=C1C=CC(=C2)N)CCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(C(=O)N(CC2=C1C=CC(=C2)N)CCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-29-24-13-12-23(28)16-22(24)18-30(15-14-20-8-4-2-5-9-20)27(32)25(29)17-26(31)33-19-21-10-6-3-7-11-21/h2-13,16,25H,14-15,17-19,28H2,1H3